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1-(5-Iodopentyl)-N(4)-tritylcytosine
SpectraBase Compound ID KSYIOvDHvpS
InChI InChI=1S/C28H28IN3O/c29-20-11-4-12-21-32-22-19-26(30-27(32)33)31-28(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-10,13-19,22H,4,11-12,20-21H2,(H,30,31,33)
InChIKey XWKNUKLVNNDKTC-UHFFFAOYSA-N
Mol Weight 549.46 g/mol
Molecular Formula C28H28IN3O
Exact Mass 549.127708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sPoT6GcDVr
Name 1-(5-Iodopentyl)-N(4)-tritylcytosine
Alternate Name(s) 1-(5-iodopentyl)-4-(tritylamino)-2(1H)-pyrimidinone
CAS Registry Number 130798-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28IN3O
InChI InChI=1S/C28H28IN3O/c29-20-11-4-12-21-32-22-19-26(30-27(32)33)31-28(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-10,13-19,22H,4,11-12,20-21H2,(H,30,31,33)
InChIKey XWKNUKLVNNDKTC-UHFFFAOYSA-N
Molecular Weight 549.456 g/mol
SMILES N(C(c1ccccc1)(c1ccccc1)c1ccccc1)C1=NC(N(CCCCCI)C=C1)=O
SPLASH splash10-00kf-0890000000-5be3881f693a0f67bb0b
Source of Spectrum C-113-983-9
Wiley ID 1405579